CID 37229

2-benzofurancarboxylic acid, 6-methoxy-3-methyl-, diethylaminoethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H23NO4
SMILES
CCN(CC)CCOC(=O)C1=C(C2=C(O1)C=C(C=C2)OC)C
InChI
InChI=1S/C17H23NO4/c1-5-18(6-2)9-10-21-17(19)16-12(3)14-8-7-13(20-4)11-15(14)22-16/h7-8,11H,5-6,9-10H2,1-4H3
InChIKey
JCPGGXNUTWKJMN-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 6-methoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 173.0
[M+Na]+ 328.15194 181.1
[M-H]- 304.15544 180.0
[M+NH4]+ 323.19654 190.5
[M+K]+ 344.12588 180.9
[M+H-H2O]+ 288.15998 166.1
[M+HCOO]- 350.16092 197.5
[M+CH3COO]- 364.17657 211.8
[M+Na-2H]- 326.13739 175.8
[M]+ 305.16217 183.3
[M]- 305.16327 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.